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VOL. 3, ISSUE 1 (2018)
Density functional theory study of structural, electronic and optical properties of ZnGeP2
Authors
Rahul Shandilya, Tanvi Gupta, Sweety Dubey
Abstract
First principles calculation within density functional theory (DFT) has been used to calculate the structural, electronic and optical of ZnSiP2 chalcopyrite semiconductor. The result of band structure, total density of state (DOS) and partial density of state (PDOS) have been discussed. The dielectric constant, refractive index, reflectivity, absorption coefficients and loss function have been presented in energy range of 0-25 eV. The calculated values of these parameters are in good agreement with the experimental values and the value reported by previous researchers.
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Pages:968-972
How to cite this article:
Rahul Shandilya, Tanvi Gupta, Sweety Dubey "Density functional theory study of structural, electronic and optical properties of ZnGeP2". National Journal of Multidisciplinary Research and Development, Vol 3, Issue 1, 2018, Pages 968-972
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